N,N'-diethyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine

C13H29N3O — CID 79171654

IUPACN,N'-diethyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine
SMILESCCNCCN(CC)CC1CN(CC)CCO1
InChIInChI=1S/C13H29N3O/c1-4-14-7-8-15(5-2)11-13-12-16(6-3)9-10-17-13/h13-14H,4-12H2,1-3H3
InChIKeyZIISLGULJWXBRL-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.64
Rot. Bonds8

About N,N'-diethyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine

N,N'-diethyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine (PubChem CID 79171654) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N,N'-diethyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-diethyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine
PubChem CID79171654
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN,N'-diethyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine
SMILESCCNCCN(CC)CC1CN(CC)CCO1
InChIInChI=1S/C13H29N3O/c1-4-14-7-8-15(5-2)11-13-12-16(6-3)9-10-17-13/h13-14H,4-12H2,1-3H3
InChIKeyZIISLGULJWXBRL-UHFFFAOYSA-N
XLogP0.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-N'-[(4-ethylmorpholin-2-yl)methyl]propane-1,3-diamine
CID 79164190
3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]propan-1-ol
CID 115666180
N'-[(4-ethylmorpholin-2-yl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 79172350
N-[(4-ethylmorpholin-2-yl)methyl]-N-methylpropan-1-amine
CID 142615879
N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 79164867
N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 107488358
N'-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 79171078
potassium;carbanide;ethane;N-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-N-methylformamide
CID 164557349
3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]-2-methylpropanethioamide
CID 79164440
2-[(4-ethylmorpholin-2-yl)methyl]-1,1-dimethylhydrazine
CID 83013622
2,4-diethylmorpholine
CID 58988021
N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine
CID 80671513

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-diethyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine (CID 79171654) is N,N'-diethyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-diethyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-diethyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine is CCNCCN(CC)CC1CN(CC)CCO1.
What is the InChIKey of N,N'-diethyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is ZIISLGULJWXBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-4-14-7-8-15(5-2)11-13-12-16(6-3)9-10-17-13/h13-14H,4-12H2,1-3H3.
What are the key properties of N,N'-diethyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine?
N,N'-diethyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 243.39 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 79171654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).